1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one

C24H30F3N5O2 — CID 55598245

IUPAC1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H30F3N5O2/c25-24(26,27)34-21-6-4-20(5-7-21)19-30-13-11-29(12-14-30)10-8-23(33)32-17-15-31(16-18-32)22-3-1-2-9-28-22/h1-7,9H,8,10-19H2
InChIKeyKXDUEYBUFZYNKC-UHFFFAOYSA-N
MW477.53 g/mol
LogP2.84
Rot. Bonds7

About 1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one

1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 55598245) has the molecular formula C24H30F3N5O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
PubChem CID55598245
Molecular FormulaC24H30F3N5O2
Molecular Weight477.53 g/mol
Exact Mass477.24
IUPAC Name1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H30F3N5O2/c25-24(26,27)34-21-6-4-20(5-7-21)19-30-13-11-29(12-14-30)10-8-23(33)32-17-15-31(16-18-32)22-3-1-2-9-28-22/h1-7,9H,8,10-19H2
InChIKeyKXDUEYBUFZYNKC-UHFFFAOYSA-N
XLogP2.84
TPSA52.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 35161586
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86924247
1-[3-oxo-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 47025565
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine
CID 3714513
2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111092202
1-(4-pyridin-2-ylpiperazin-1-yl)-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone
CID 42571560
1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349
1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030337
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
3-[4-oxo-4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]butyl]quinazolin-4-one
CID 30874398
3-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55572311

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one (CID 55598245) is 1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one is O=C(CCN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one?
The InChIKey is KXDUEYBUFZYNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O2/c25-24(26,27)34-21-6-4-20(5-7-21)19-30-13-11-29(12-14-30)10-8-23(33)32-17-15-31(16-18-32)22-3-1-2-9-28-22/h1-7,9H,8,10-19H2.
What are the key properties of 1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one?
1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 477.53 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 55598245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).